HRID2158436

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

2 次

HCID7918

Acetic anhydride

C4H6O3

HCID8028

Tetrahydrofuran

C4H8O

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

结构：C#CC1(COC(=O)c2ccccc2)OC(n2cc(C)c(=O)[nH]c2=O)CC1OS(C)(=O)=O

HCID178437283

未命名化合物

PRODUCTS

生成物

结构：C#CC1(COC(=O)c2ccccc2)C=CC(n2cc(C)c(=O)[nH]c2=O)O1

HCID123297705

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c69db38646ef4c08b2cd5c36c260fb6b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:3]([c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1)(=[O:10])[O:11][CH2:12][C:13]1([C:32]#[CH:33])[CH:14]([O:27][S:28]([CH3:29])(=[O:30])=[O:31])[CH2:15][CH:16]([n:18]2[c:19](=[O:20])[nH:21][c:22](=[O:23])[c:24]([CH3:25])[cH:26]2)[O:17]1.[CH2:41]1[O:42][CH2:43][CH2:44][CH2:45]1.[CH3:1][OH:2].[CH3:34][C:35]([O:36][C:37]([CH3:38])=[O:39])=[O:40].[CH3:46][OH:47].[CH3:48][N:49]([c:50]1[cH:51][cH:52][n:53][cH:54][cH:55]1)[CH3:56]>>[C:3]([c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1)(=[O:10])[O:11][CH2:12][C:13]1([C:32]#[CH:33])[CH:14]=[CH:15][CH:16]([n:18]2[c:19](=[O:20])[nH:21][c:22](=[O:23])[c:24]([CH3:25])[cH:26]2)[O:17]1